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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	B1 bradykinin receptor
Species	Rattus norvegicus (Rat)
Gene	Bdkrb1
Synonym	KB1 bradykinin receptor BKR1 BK-1 receptor B1R B1BKR B1 receptor Kinin B1 receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	337
Amino acid sequence	MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL
UniProt	P97583
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4613
IUPHAR	41
DrugBank	N/A

Ligand

Name	CHEMBL329578
Molecular formula	C43H70N12O10
IUPAC name	(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[1-[[2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]cyclononanecarbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Molecular weight	915.107
Hydrogen bond acceptor	13
Hydrogen bond donor	12
XlogP	-3.3
Synonyms	N/A
Inchi Key	UDARTKBKIWLIDD-ZTTXAYQISA-N
Inchi ID	InChI=1S/C43H70N12O10/c44-21-11-8-16-29(45)36(59)52-30(17-12-22-48-42(46)47)37(60)49-26-35(58)54-43(19-9-3-1-2-4-10-20-43)41(65)50-25-34(57)51-32(27-56)39(62)55-23-13-18-33(55)38(61)53-31(40(63)64)24-28-14-6-5-7-15-28/h5-7,14-15,29-33,56H,1-4,8-13,16-27,44-45H2,(H,49,60)(H,50,65)(H,51,57)(H,52,59)(H,53,61)(H,54,58)(H,63,64)(H4,46,47,48)/t29-,30-,31-,32-,33-/m0/s1
PubChem CID	10533789
ChEMBL	CHEMBL329578
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
pD2	5.4 -	PMID11170638	ChEMBL

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